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BDBM50072204 2-[4-(3,5-Bis-cyclopropylmethoxy-phenyl)-2-ethylsulfanyl-6-methoxy-quinazolin-7-yloxy]-ethanol::CHEMBL99101

SMILES: CCSc1nc(-c2cc(OCC3CC3)cc(OCC3CC3)c2)c2cc(OC)c(OCCO)cc2n1

InChI Key: InChIKey=BRIWETPXFBRJJZ-UHFFFAOYSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50072204   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Phosphodiesterase 4 and 5 (PDE4 and PDE5)


(Homo sapiens (Human))
BDBM50072204
PNG
(2-[4-(3,5-Bis-cyclopropylmethoxy-phenyl)-2-ethylsu...)
Show SMILES CCSc1nc(-c2cc(OCC3CC3)cc(OCC3CC3)c2)c2cc(OC)c(OCCO)cc2n1
Show InChI InChI=1S/C27H32N2O5S/c1-3-35-27-28-23-14-25(32-9-8-30)24(31-2)13-22(23)26(29-27)19-10-20(33-15-17-4-5-17)12-21(11-19)34-16-18-6-7-18/h10-14,17-18,30H,3-9,15-16H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 700n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Evaluated for its ability to inhibit PDE4D.


Bioorg Med Chem Lett 8: 2891-6 (1999)


BindingDB Entry DOI: 10.7270/Q2PG1QVX
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(RAT)
BDBM50072204
PNG
(2-[4-(3,5-Bis-cyclopropylmethoxy-phenyl)-2-ethylsu...)
Show SMILES CCSc1nc(-c2cc(OCC3CC3)cc(OCC3CC3)c2)c2cc(OC)c(OCCO)cc2n1
Show InChI InChI=1S/C27H32N2O5S/c1-3-35-27-28-23-14-25(32-9-8-30)24(31-2)13-22(23)26(29-27)19-10-20(33-15-17-4-5-17)12-21(11-19)34-16-18-6-7-18/h10-14,17-18,30H,3-9,15-16H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 440n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Evaluated for its ability to inhibit PDE4B.


Bioorg Med Chem Lett 8: 2891-6 (1999)


BindingDB Entry DOI: 10.7270/Q2PG1QVX
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50072204
PNG
(2-[4-(3,5-Bis-cyclopropylmethoxy-phenyl)-2-ethylsu...)
Show SMILES CCSc1nc(-c2cc(OCC3CC3)cc(OCC3CC3)c2)c2cc(OC)c(OCCO)cc2n1
Show InChI InChI=1S/C27H32N2O5S/c1-3-35-27-28-23-14-25(32-9-8-30)24(31-2)13-22(23)26(29-27)19-10-20(33-15-17-4-5-17)12-21(11-19)34-16-18-6-7-18/h10-14,17-18,30H,3-9,15-16H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 540n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Evaluated for its ability to inhibit PDE4A.


Bioorg Med Chem Lett 8: 2891-6 (1999)


BindingDB Entry DOI: 10.7270/Q2PG1QVX
More data for this
Ligand-Target Pair